(1S,2R,3S)-1-(1,3-Benzodioxol-5-Yl)-3-[2-(Carboxymethoxy)-4-Methoxyphenyl]-5-Propoxy-2-Indanecarboxylic Acid

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Properties Simple | Detailed

Formula C25H12O9
IUPAC Name (1s,2r,3s)-1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1h-indene-2-carboxylic acid
Molecular Mass 456.357 g·mol−1
Heat of Formation -1275.9 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 593.48 Å 3
Surface Area 487.64 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3s)-1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-5-propoxy-2,3-dihydro-1h-indene-2-carboxylic acid
  • (1s,2r,3s)-1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid
  • (1s,2r,3s)-1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxyphenyl]-5-propoxy-2-indanecarboxylic acid
  • 1h-indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-(2-(carboxymethoxy)-4-methoxyphenyl)-2,3-dihydro-5-propoxy-, (1s,2r,3s)-
  • 1h-indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-(2-(carboxymethoxy)-4-methoxyphenyl)-2,3-dihydro-5-propoxy-, (1s-(1alpha,2beta,3alpha))-
  • 3-(2-(carboxymethoxy)-4-methoxyphenyl)-1-(3,4-(methylenedioxy)phenyl)-5-(prop-1-yloxy)indan-2-carboxylic acid
  • pdsp2_001717
  • sb 209670
  • sb-209670
  • sb209670
CAS Number(s)
  • 157659-79-5
InChIKey UUAVCCWBNUITBB-UPRLRBBYSA-N
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